4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide

C17H13N5O2S — CID 143558628

IUPAC4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide
SMILESNS(=O)c1ccc(Nc2ncc3ccc(-c4cnoc4)cc3n2)cc1
InChIInChI=1S/C17H13N5O2S/c18-25(23)15-5-3-14(4-6-15)21-17-19-8-12-2-1-11(7-16(12)22-17)13-9-20-24-10-13/h1-10H,18H2,(H,19,21,22)
InChIKeyZNPDVZGNAAEPMH-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.01
Rot. Bonds4

About 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide

4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide (PubChem CID 143558628) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide.

Molecular Properties

Compound Name4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide
PubChem CID143558628
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide
SMILESNS(=O)c1ccc(Nc2ncc3ccc(-c4cnoc4)cc3n2)cc1
InChIInChI=1S/C17H13N5O2S/c18-25(23)15-5-3-14(4-6-15)21-17-19-8-12-2-1-11(7-16(12)22-17)13-9-20-24-10-13/h1-10H,18H2,(H,19,21,22)
InChIKeyZNPDVZGNAAEPMH-UHFFFAOYSA-N
XLogP3.01
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101530
5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide
CID 67102027
4-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101887
4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102551
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
CID 177197629
4-[(11-oxospiro[1,3,5,10-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfinamide
CID 162360001
[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 67102286
1-methyl-N-(4-methylsulfinylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 172599837
4-[[7-cyclohexyl-6-(2,2-difluoroethanimidoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfinamide
CID 162360351
N-(4-imidazol-1-ylphenyl)-7-(1-methylpyrazol-4-yl)quinazolin-2-amine;2,2,2-trifluoroacetic acid
CID 117078494
potassium;4-[[7-cyclohexyl-6-(2,2-difluoroethanimidoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfinamide;hydroxide
CID 162360350
2-(4-bromoanilino)quinazolin-6-ol
CID 59254881

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide?
The IUPAC name of 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide (CID 143558628) is 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide.
What is the SMILES notation for 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide?
The canonical SMILES for 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide is NS(=O)c1ccc(Nc2ncc3ccc(-c4cnoc4)cc3n2)cc1.
What is the InChIKey of 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide?
The InChIKey is ZNPDVZGNAAEPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c18-25(23)15-5-3-14(4-6-15)21-17-19-8-12-2-1-11(7-16(12)22-17)13-9-20-24-10-13/h1-10H,18H2,(H,19,21,22).
What are the key properties of 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide?
4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide has a molecular weight of 351.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide is sourced from PubChem (CID 143558628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).